4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine

C10H15ClN4O — CID 80740167

IUPAC4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine
SMILESCN1CCC(Oc2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C10H15ClN4O/c1-15-4-2-7(3-5-15)16-9-6-8(11)13-10(12)14-9/h6-7H,2-5H2,1H3,(H2,12,13,14)
InChIKeyAMBWWZFWWZFVAX-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.19
Rot. Bonds2

About 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine

4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine (PubChem CID 80740167) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine
PubChem CID80740167
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine
SMILESCN1CCC(Oc2cc(Cl)nc(N)n2)CC1
InChIInChI=1S/C10H15ClN4O/c1-15-4-2-7(3-5-15)16-9-6-8(11)13-10(12)14-9/h6-7H,2-5H2,1H3,(H2,12,13,14)
InChIKeyAMBWWZFWWZFVAX-UHFFFAOYSA-N
XLogP1.19
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine (CID 80740167) is 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine is CN1CCC(Oc2cc(Cl)nc(N)n2)CC1.
What is the InChIKey of 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine?
The InChIKey is AMBWWZFWWZFVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-15-4-2-7(3-5-15)16-9-6-8(11)13-10(12)14-9/h6-7H,2-5H2,1H3,(H2,12,13,14).
What are the key properties of 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine?
4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine has a molecular weight of 242.71 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylpiperidin-4-yl)oxypyrimidin-2-amine is sourced from PubChem (CID 80740167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).